Geometry & MOs

Info

ID:	429381
PubChem CID:	135169404
Reduced:	SN4O5C22H26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	234.117984
ΔH_f, kcal/mol:	-146.81
Dipole, Da:	6.5
IP(EA), eV:	-8.33(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoro-1-morpholin-4-ylethenyl)morpholine

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)OCC3=CC(=NC=C3)NC(=O)OC)SC(=N2)NC4CCCC[C@@H]4O

DOS

IR

Vibrations